methyl 3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0077 |
| Compound Name: | methyl 3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 386.42 |
| Molecular Formula: | C19 H18 N2 O5 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(c(c3)OC)OC)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1225 |
| logD: | 3.1211 |
| logSw: | -3.4136 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.753 |
| InChI Key: | OZDFBCGEHRDNKO-UHFFFAOYSA-N |